SCHEMBL731824

SCHEMBL731824

O=C(OCc1ccccc1)N1CC[C@H](Oc2cccc3ccc[n+]([O-])c23)[C@@H](F)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 1/20 0.42
PDE4B Q07343 1/20 0.40
F13A1 P00488 2/20 0.39
TGM2 P21980 2/20 0.39
TGM1 P22735 2/20 0.39
GRIN2B Q13224 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
DPP4 P27487 2/20 0.37
DPP7 Q9UHL4 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL731825 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL731823 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL731052 0.80 GRIN2B (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL731051 0.80 GRIN2B (0.47) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL731934 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL731935 0.79 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ACYP2C19PDE4B
SCHEMBL2770114 0.76 GRIN2B (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2770111 0.76 GRIN2B (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL2770108 0.76 GRIN2B (0.54) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL1965468 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137184-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-05-08 EP disclosed
US-8138181-B2 Imidazo[1,2-a]pyridine compounds as receptor tyrosine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-03-20 US disclosed
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-02-04 US disclosed
EP-2137184-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2009-12-30 EP disclosed
WO-2008124323-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2008-10-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029633-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS PIM1, PIM3, PIM2 SMN1; SMN2 3711/4885NPC1 3848/4885RAB9A 1816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.